SCHEMBL8538008

SCHEMBL8538008

O=c1cc(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 7/20 0.63
CTSL P07711 7/20 0.63
HPGD P15428 7/20 0.60
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 5/20 0.60
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TUBB4A P04350 1/20 0.55
TP53 P04637 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55
TUBA3E Q6PEY2 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TUBA1A Q71U36 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26847003 0.93 HPGD (0.68) CTSVCTSLHPGDKDM4EALDH1A1
SCHEMBL8535774 0.85 ALDH1A1 (0.46) CTSVCTSLHPGDKDM4EALDH1A1
SCHEMBL8537802 0.84 KDM4E (0.44) CTSVCTSLHPGDKDM4EALDH1A1
SCHEMBL20983235 0.81 ALDH1A1 (0.43) CTSVCTSLHPGDKDM4EALDH1A1
SCHEMBL26846964 0.80 HPGD (0.63) CTSVCTSLHPGDKDM4EALDH1A1
SCHEMBL8534905 0.80 CTSV (0.47) CTSVCTSLHPGDKDM4EALDH1A1
SCHEMBL26846971 0.80 HPGD (0.72) CTSVCTSLHPGDKDM4EALDH1A1
SCHEMBL8531701 0.79 ALDH1A1 (0.57) CTSVCTSLHPGDKDM4EALDH1A1
SCHEMBL29411850 0.78 CTSV (1.00) CTSVCTSLHPGDKDM4EALDH1A1
SCHEMBL26978211 0.78 CTSV (1.00) CTSVCTSLHPGDKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2020-10-13 US claimed
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 US claimed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO claimed
US-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2020-10-13 US disclosed
US-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2020-10-13 US disclosed
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 US disclosed
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 US disclosed
WO-2017103615-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2017-06-22 WO disclosed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor NDUFB7, NDUFB3, NDUFB5 CTSV 2040/4885CTSL 1317/4885HPGD 266/4885
US-20190151305-A1 COMBINATION PRODUCT NDUFB5, NDUFB7, NDUFB10 CTSV 1722/4885CTSL 962/4885HPGD 321/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.